Information card for entry 4101512

Structure parameters

• Formula: C27 H42 Li N O2 Zn
• Calculated formula: C27 H42 Li N O2 Zn
• SMILES: [Zn](c1c(cccc1)OC)(C(C)(C)C)N1C(CCCC1(C)C)(C)C.[Li+].c1(ccccc1)OC
• Title of publication: Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.
• Authors of publication: Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7434 - 7435
• a: 10.399 ± 0.002 Å
• b: 11.205 ± 0.002 Å
• c: 11.914 ± 0.003 Å
• α: 88.22 ± 0.003°
• β: 75.45 ± 0.003°
• γ: 87.077 ± 0.003°
• Cell volume: 1341.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No